%nprocshared=20
%mem=41GB
%chk=Me-TS1-2-6endo.chk
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                 -1.20268293   -1.39921077   -0.21340387
 C                 -0.93609739   -0.16543714   -0.09113656
 C                 -1.65549997    1.10496744   -0.05159384
 C                 -2.88614902    1.24202623   -0.73470278
 C                 -1.12776257    2.18886563    0.67225705
 H                 -0.18537642    2.06518837    1.19765941
 C                 -3.01620803    3.54886824    0.04954561
 H                 -3.55118932    4.49350258    0.07987070
 C                 -3.47961677    0.11026359   -1.54879070
 H                 -2.86240323   -0.02631809   -2.44715746
 H                 -4.46714786    0.41815915   -1.91654278
 C                 -3.60458496   -1.24822836   -0.88639053
 H                 -3.49385282   -2.08188380   -1.57775618
 C                 -3.96379322   -1.55573138    0.38639062
 C                 -4.11851638   -2.99595865    0.80228313
 H                 -3.47967479   -3.21976239    1.66709128
 H                 -3.87271107   -3.69462362   -0.00178332
 H                 -5.15220394   -3.18597200    1.12006160
 C                 -4.24460844   -0.55543131    1.47752400
 H                 -5.14872478   -0.84916542    2.02430580
 H                 -4.37570274    0.46235252    1.11078678
 H                 -3.42392602   -0.55055624    2.20753161
 Au                 1.24318386   -0.19614586   -0.03553636
 P                  3.54569386    0.06157415    0.04561137
 C                  4.03927091    1.64471214    0.82580964
 H                  3.62403863    2.47837914    0.25303511
 H                  5.13073889    1.72556410    0.85072127
 H                  3.64664674    1.68531407    1.84552229
 C                  4.34536647    0.05585989   -1.60337226
 H                  4.15436030   -0.90080032   -2.09702840
 H                  5.42507460    0.20292535   -1.49591028
 H                  3.92666296    0.85999923   -2.21444641
 C                  4.39693885   -1.24559822    1.00865456
 H                  4.00778481   -1.25764032    2.03040950
 H                  5.47440386   -1.05225046    1.02976072
 H                  4.20999223   -2.21878553    0.54657843
 C                 -1.80665139    3.40252157    0.73208717
 H                 -1.39218763    4.22733278    1.30356402
 C                 -3.54198735    2.47662552   -0.67314977
 H                 -4.48642606    2.59452879   -1.19788979
 C                 -0.94125111   -2.91191442   -0.33580099
 H                 -0.23764293   -3.08979829   -1.12205340
 H                 -0.54563184   -3.28132628    0.58719429
 H                 -1.85883448   -3.41565262   -0.55758597

1 12 F
1 14 F

C H P 0
6-31G*
****
Au 0
SDD 
****

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%Chk=Me-TS1-2-6endo.chk
#p opt=(ts,noeigentest,calcfc,modredundant,maxstep=9) freq=noraman geom=checkpoint guess=read SCRF=(PCM,Solvent=Dichloromethane) B3LYP genecp EmpiricalDispersion=GD3 nosymm scf(xqc,maxcyc=512) gfinput gfprint

opt freq

1 1

1 12 A
1 14 A

C H P 0
6-31G*
****
Au 0
SDD 
****

Au 0
SDD






